ArticleNature communications2024
Comparative quantum-classical dynamics of natural and synthetic molecular rotors show how vibrational synchronization modulates the photoisomerization quantum efficiency.
Article in Nature communications, 2024. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 4 papers.
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Who cites it
4 citing papers in PubMed, 8 citations in OpenAlex.
- Photochemistry of an Anti-Bredt Olefin through the Lens of Multistate Multireference Quantum Chemistry.Journal of the American Chemical Society · 2026Article
- Rotor-stator repulsion and medium-induced dephasing enhance and equalise the quantum efficiency of a fluorinated photon-only rotary motor.Nature communications · 2026Article
- Impact of solvation on the photoisomerization mechanism of oxindole switches with electron-donating substituents.Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology · 2026Article
- The Effect of Aldehyde and Carboxylic Acid Substitution on the Isomerization of Hemithioindigo Photoswitches.Chemistry (Weinheim an der Bergstrasse, Germany) · 2025Article
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Authors and funding
4 authors at 2 institutions in 2 countries.
Funding
Abstract
We use quantum-classical trajectories to investigate the origin of the different photoisomerization quantum efficiency observed in the dim-light visual pigment Rhodopsin and in the light-driven biomimetic molecular rotor para-methoxy N-methyl indanylidene-pyrrolinium (MeO-NAIP) in methanol. Our results reveal that effective light-energy conversion requires, in general, an auxiliary molecular vibration (called promoter) that does not correspond to the rotary motion but synchronizes with it at specific times. They also reveal that Nature has designed Rhodopsin to exploit two mechanisms working in a vibrationally coherent regime. The first uses a wag promoter to ensure that ca. 75% of the absorbed photons lead to unidirectional rotations. The second mechanism ensures that the same process is fast enough to avoid directional randomization. It is found that MeO-NAIP in methanol is incapable of exploiting the above mechanisms resulting into a 50% quantum efficiency loss. However, when the solvent is removed, MeO-NAIP rotation is predicted to synchronize with a ring-inversion promoter leading to a 30% increase in quantum efficiency and, therefore, biomimetic behavior.
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Registered trials
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